CID 9895

Beta-cyclocitral

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=C(C(CCC1)(C)C)C=O

InChI

InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3

InChIKey

MOQGCGNUWBPGTQ-UHFFFAOYSA-N

Compound name

2,6,6-trimethylcyclohexene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 97
References: 2080
Patents: 152.12012 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.12740	133.5
[M+Na]+	175.10934	146.0
[M+NH4]+	170.15394	144.2
[M+K]+	191.08328	137.2
[M-H]-	151.11284	136.0
[M+Na-2H]-	173.09479	140.9
[M]+	152.11957	136.1
[M]-	152.12067	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe